COMPND HMDB0250970 HETATM 1 C1 UNL 1 -3.460 -1.855 -3.934 1.00 0.00 C HETATM 2 C2 UNL 1 -3.048 -0.417 -3.617 1.00 0.00 C HETATM 3 C3 UNL 1 -3.386 -0.201 -2.209 1.00 0.00 C HETATM 4 C4 UNL 1 -4.679 0.057 -1.795 1.00 0.00 C HETATM 5 C5 UNL 1 -5.031 0.241 -0.480 1.00 0.00 C HETATM 6 N1 UNL 1 -4.085 0.162 0.453 1.00 0.00 N HETATM 7 C6 UNL 1 -2.797 -0.094 0.081 1.00 0.00 C HETATM 8 C7 UNL 1 -1.833 -0.155 1.064 1.00 0.00 C HETATM 9 C8 UNL 1 -0.513 -0.387 0.758 1.00 0.00 C HETATM 10 C9 UNL 1 -0.097 -0.567 -0.564 1.00 0.00 C HETATM 11 O1 UNL 1 1.242 -0.791 -0.887 1.00 0.00 O HETATM 12 C10 UNL 1 2.129 -0.874 0.186 1.00 0.00 C HETATM 13 C11 UNL 1 3.596 -0.885 -0.192 1.00 0.00 C HETATM 14 C12 UNL 1 4.443 -1.101 1.026 1.00 0.00 C HETATM 15 N2 UNL 1 5.824 -0.915 0.921 1.00 0.00 N HETATM 16 C13 UNL 1 7.128 -0.739 0.822 1.00 0.00 C HETATM 17 O2 UNL 1 7.719 0.389 0.618 1.00 0.00 O HETATM 18 C14 UNL 1 8.139 -1.870 0.940 1.00 0.00 C HETATM 19 N3 UNL 1 9.476 -1.306 0.803 1.00 0.00 N HETATM 20 C15 UNL 1 9.816 -0.664 -0.415 1.00 0.00 C HETATM 21 O3 UNL 1 8.941 -0.647 -1.353 1.00 0.00 O HETATM 22 C16 UNL 1 11.115 -0.012 -0.656 1.00 0.00 C HETATM 23 N4 UNL 1 12.041 -0.063 0.427 1.00 0.00 N HETATM 24 C17 UNL 1 13.301 0.604 0.276 1.00 0.00 C HETATM 25 O4 UNL 1 13.595 1.217 -0.780 1.00 0.00 O HETATM 26 C18 UNL 1 14.330 0.620 1.345 1.00 0.00 C HETATM 27 N5 UNL 1 13.922 -0.139 2.508 1.00 0.00 N HETATM 28 C19 UNL 1 -1.086 -0.506 -1.519 1.00 0.00 C HETATM 29 C20 UNL 1 -2.417 -0.277 -1.233 1.00 0.00 C HETATM 30 C21 UNL 1 -6.461 0.551 -0.361 1.00 0.00 C HETATM 31 C22 UNL 1 -7.300 0.879 0.684 1.00 0.00 C HETATM 32 C23 UNL 1 -8.648 1.209 0.516 1.00 0.00 C HETATM 33 C24 UNL 1 -9.117 1.188 -0.778 1.00 0.00 C HETATM 34 C25 UNL 1 -8.235 0.848 -1.817 1.00 0.00 C HETATM 35 O5 UNL 1 -8.730 0.843 -2.998 1.00 0.00 O HETATM 36 N6 UNL 1 -6.953 0.542 -1.625 1.00 0.00 N HETATM 37 C26 UNL 1 -5.938 0.179 -2.570 1.00 0.00 C HETATM 38 C27 UNL 1 -10.514 1.507 -1.092 1.00 0.00 C HETATM 39 O6 UNL 1 -11.265 1.905 0.025 1.00 0.00 O HETATM 40 C28 UNL 1 -10.940 1.555 1.311 1.00 0.00 C HETATM 41 O7 UNL 1 -11.794 1.202 2.166 1.00 0.00 O HETATM 42 C29 UNL 1 -9.498 1.608 1.660 1.00 0.00 C HETATM 43 O8 UNL 1 -9.208 2.944 2.037 1.00 0.00 O HETATM 44 C30 UNL 1 -9.194 0.776 2.882 1.00 0.00 C HETATM 45 C31 UNL 1 -9.424 -0.699 2.654 1.00 0.00 C HETATM 46 H1 UNL 1 -3.768 -2.404 -2.994 1.00 0.00 H HETATM 47 H2 UNL 1 -4.376 -1.823 -4.551 1.00 0.00 H HETATM 48 H3 UNL 1 -2.663 -2.446 -4.402 1.00 0.00 H HETATM 49 H4 UNL 1 -2.027 -0.175 -3.884 1.00 0.00 H HETATM 50 H5 UNL 1 -3.710 0.286 -4.205 1.00 0.00 H HETATM 51 H6 UNL 1 -2.169 -0.003 2.107 1.00 0.00 H HETATM 52 H7 UNL 1 0.222 -0.431 1.563 1.00 0.00 H HETATM 53 H8 UNL 1 1.852 -1.755 0.789 1.00 0.00 H HETATM 54 H9 UNL 1 1.996 0.081 0.777 1.00 0.00 H HETATM 55 H10 UNL 1 3.742 -1.771 -0.863 1.00 0.00 H HETATM 56 H11 UNL 1 3.854 0.016 -0.733 1.00 0.00 H HETATM 57 H12 UNL 1 4.008 -0.561 1.909 1.00 0.00 H HETATM 58 H13 UNL 1 4.269 -2.191 1.301 1.00 0.00 H HETATM 59 H14 UNL 1 5.578 0.398 0.666 1.00 0.00 H HETATM 60 H15 UNL 1 8.023 -2.424 1.868 1.00 0.00 H HETATM 61 H16 UNL 1 7.929 -2.527 0.078 1.00 0.00 H HETATM 62 H17 UNL 1 10.156 -1.379 1.584 1.00 0.00 H HETATM 63 H18 UNL 1 11.530 -0.452 -1.592 1.00 0.00 H HETATM 64 H19 UNL 1 10.966 1.087 -0.912 1.00 0.00 H HETATM 65 H20 UNL 1 11.870 -0.545 1.315 1.00 0.00 H HETATM 66 H21 UNL 1 14.454 1.702 1.657 1.00 0.00 H HETATM 67 H22 UNL 1 15.275 0.281 0.896 1.00 0.00 H HETATM 68 H23 UNL 1 14.702 -0.107 3.197 1.00 0.00 H HETATM 69 H24 UNL 1 13.107 0.291 2.970 1.00 0.00 H HETATM 70 H25 UNL 1 -0.765 -0.658 -2.531 1.00 0.00 H HETATM 71 H26 UNL 1 -6.919 0.895 1.692 1.00 0.00 H HETATM 72 H27 UNL 1 -5.877 0.971 -3.362 1.00 0.00 H HETATM 73 H28 UNL 1 -6.109 -0.781 -3.069 1.00 0.00 H HETATM 74 H29 UNL 1 -10.513 2.367 -1.821 1.00 0.00 H HETATM 75 H30 UNL 1 -10.977 0.675 -1.661 1.00 0.00 H HETATM 76 H31 UNL 1 -8.228 3.083 2.086 1.00 0.00 H HETATM 77 H32 UNL 1 -8.163 0.916 3.256 1.00 0.00 H HETATM 78 H33 UNL 1 -9.889 1.090 3.721 1.00 0.00 H HETATM 79 H34 UNL 1 -9.283 -1.220 3.613 1.00 0.00 H HETATM 80 H35 UNL 1 -10.494 -0.874 2.355 1.00 0.00 H HETATM 81 H36 UNL 1 -8.709 -1.066 1.891 1.00 0.00 H CONECT 1 2 46 47 48 CONECT 2 3 49 50 CONECT 3 4 4 29 CONECT 4 5 37 CONECT 5 6 6 30 CONECT 6 7 CONECT 7 8 8 29 CONECT 8 9 51 CONECT 9 10 10 52 CONECT 10 11 28 CONECT 11 12 CONECT 12 13 53 54 CONECT 13 14 55 56 CONECT 14 15 57 58 CONECT 15 16 59 CONECT 16 17 17 18 CONECT 18 19 60 61 CONECT 19 20 62 CONECT 20 21 21 22 CONECT 22 23 63 64 CONECT 23 24 65 CONECT 24 25 25 26 CONECT 26 27 66 67 CONECT 27 68 69 CONECT 28 29 29 70 CONECT 30 31 31 36 CONECT 31 32 71 CONECT 32 33 33 42 CONECT 33 34 38 CONECT 34 35 35 36 CONECT 36 37 CONECT 37 72 73 CONECT 38 39 74 75 CONECT 39 40 CONECT 40 41 41 42 CONECT 42 43 44 CONECT 43 76 CONECT 44 45 77 78 CONECT 45 79 80 81 END